5-[(4-bromophenyl)methyl]-2-[4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butyl]sulfanyl-3,6-dimethyl-pyrimidin-4-one

Systemtic Name: 5-[(4-bromophenyl)methyl]-2-[4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butyl]sulfanyl-3,6-dimethyl-pyrimidin-4-one Openeye Name: 2-[4-(4-acetylpiperazin-1-yl)-4-oxo-butyl]sulfanyl-5-[(4-bromophenyl)methyl]-3,6-dimethyl-pyrimidin-4-one CAS Name: 2-[[4-(4-acetyl-1-piperazinyl)-4-oxobutyl]thio]-5-[(4-bromophenyl)methyl]-3,6-dimethyl-4-pyrimidinone IUPAC Name: 2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]sulfanyl-5-[(4-bromophenyl)methyl]-3,6-dimethylpyrimidin-4-one Traditional Name: 2-[[4-(4-acetylpiperazino)-4-keto-butyl]thio]-5-(4-bromobenzyl)-3,6-dimethyl-pyrimidin-4-one Formula: C23H29BrN4O3S MolecularWeight: 521.47036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCCCC(=O)N2CCN(CC2)C(=O)C)C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCCCC(=O)N2CCN(CC2)C(=O)C)C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H29BrN4O3S/c1-16-20(15-18-6-8-19(24)9-7-18)22(31)26(3)23(25-16)32-14-4-5-21(30)28-12-10-27(11-13-28)17(2)29/h6-9H,4-5,10-15H2,1-3H3